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更新时间 2026-11-13 18:29:03
wwPDB: OneDep Validation API
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www.wwpdb.org
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The OneDep validation web service was developed as a wwPDB effort to augment the stand alone validation server by providing a programmatic remote access to such services.
This service is provided as a Python package. Once installed, access is provided using a command line client or pragmatically using a Python API.
Installation is via the program pip .
A binary script is installed called onedep_validate_cli which is a front end that invokes the packages APIs.
Example scripts that utilize the client and API can be found here .
You must start a new session. The system keeps track of the current working session in the file ~/.onedep_current_session This can be changed with the --session_file argument.
The validation API supports a limited number of file types and formats. To upload a file, you need to specify the file type with the filetype from the following table.
PDBx/mmCIF formatted files are available from REFMAC and Phenix, or can be created by using pdb_extract . MTZ to mmCIF conversion can be performed with sf-tool or in CCP4 with mtz2various .
Repeat until all files are uploaded.
Initiate the validation with the command:
You can periodically check if the validation is running or complete with the command:
or if you would like a value of 0 or 1:
When complete, you can retrieve the results of the validation
The Python API was developed to provide simple access to the web validation services in a programmatic manner.
The Validate class provides access to all services, from session creation, file upload and download, calculation initiation and status retrieval.
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